7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine

C13H16BrN3O2 — CID 104891864

IUPAC7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
SMILESCOCC(CNc1ccnc2cc(Br)cnc12)OC
InChIInChI=1S/C13H16BrN3O2/c1-18-8-10(19-2)7-16-11-3-4-15-12-5-9(14)6-17-13(11)12/h3-6,10H,7-8H2,1-2H3,(H,15,16)
InChIKeyWTTWKIHWTDTBJF-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.47
Rot. Bonds6

About 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine

7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine (PubChem CID 104891864) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
PubChem CID104891864
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC Name7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine
SMILESCOCC(CNc1ccnc2cc(Br)cnc12)OC
InChIInChI=1S/C13H16BrN3O2/c1-18-8-10(19-2)7-16-11-3-4-15-12-5-9(14)6-17-13(11)12/h3-6,10H,7-8H2,1-2H3,(H,15,16)
InChIKeyWTTWKIHWTDTBJF-UHFFFAOYSA-N
XLogP2.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
7-bromo-N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483808
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
CID 104891853
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
7-bromo-N-[(3-methoxyoxolan-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 104762658
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-morpholin-4-ylpropan-2-ol
CID 133481608
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 91660936

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine (CID 104891864) is 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine is COCC(CNc1ccnc2cc(Br)cnc12)OC.
What is the InChIKey of 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine?
The InChIKey is WTTWKIHWTDTBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c1-18-8-10(19-2)7-16-11-3-4-15-12-5-9(14)6-17-13(11)12/h3-6,10H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine?
7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine has a molecular weight of 326.19 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2,3-dimethoxypropyl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 104891864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).